1-[4-(2,6-dimethylphenoxy)butyl]azepane; ethanedioic acid

Systemtic Name: 1-[4-(2,6-dimethylphenoxy)butyl]azepane; ethanedioic acid Openeye Name: 1-[4-(2,6-dimethylphenoxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(2,6-dimethylphenoxy)butyl]azepane; oxalic acid IUPAC Name: 1-[4-(2,6-dimethylphenoxy)butyl]azepane; oxalic acid Traditional Name: 1-[4-(2,6-dimethylphenoxy)butyl]azepane; oxalic acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H29NO.C2H2O4/c1-16-10-9-11-17(2)18(16)20-15-8-7-14-19-12-5-3-4-6-13-19;3-1(4)2(5)6/h9-11H,3-8,12-15H2,1-2H3;(H,3,4)(H,5,6)